SMILES:
CCc1cc(OCC=C(Br)Br)ccc1Oc1ccc(OC(C)C)cc1Molecular Processing
Molecular formula
C20H22Br2O3
Molecular weight
470.2
Exact mass
467.9936
XLogP
6.84
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
109.53
Supplementary Information
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